SCHEMBL7980249

SCHEMBL7980249

CNC(=O)c1ccc(F)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MAPK14 Q16539 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
HDAC1 Q13547 2/20 0.41
BRAF P15056 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
NEU3 Q9UQ49 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CLCN2 P51788 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28869660 0.85 HDAC1 (0.53) MAPK14MEN1KMT2ACES2CES1
SCHEMBL11636186 0.85 GAA (0.48) GAAMEN1KMT2ACES2CES1
SCHEMBL20447555 0.83 ALDH1A1 (0.46) MAPK14MEN1KMT2ACES2CES1
SCHEMBL909599 0.82 CES2 (0.61) GAAKMT2ACES2CES1HDAC1
Hydrochloric Acid SCHEMBL29775858 0.81 CES2 (0.59) GAAKMT2ACES2CES1HDAC1
SCHEMBL1774955 0.81 GAA (0.48) GAACES2CES1KDM4EHPGD
SCHEMBL24571696 0.80 ALDH1A1 (0.47) GAAMEN1KMT2AHPGDNPC1
SCHEMBL30441657 0.80 ALDH1A1 (0.47) GAAMEN1KMT2AHPGDNPC1
SCHEMBL25376547 0.80 SLC6A9 (0.46) MAPK14MEN1KMT2ACES2CES1
SCHEMBL4599072 0.80 POLB (0.50) MEN1KMT2ACES2CES1HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
WO-2022000443-A1 METHODS AND COMPOSITIONS FOR TARGETING TREGS USING CCR8 INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-01-06 WO disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed
US-4107311-A ANTI-FERTILITY AGENTS, ABORTIFACIENTS SANDOZ, INC. (US) 1978-08-15 US disclosed
US-4083997-A ANTIDEPRESSANTS SANDOZ, INC. (US) 1978-04-11 US disclosed
US-3994961-A ANTIDEPRESSANTS SANDOZ, INC. (US) 1976-11-30 US disclosed
US-3956391-A Amino substituted tetrahydropleiadenes SANDOZ, INC. (US) 1976-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 GAA 1904/4885MAPK14 583/4885MEN1 2484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.